| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:27 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193104 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO5S |
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| Molecular Mass | 251.0827 |
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| SMILES | CCCC=CC(O)CC(O)=NCS(=O)(=O)O |
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| InChI Key | ZJPQOTMMWKHVEN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfonyls |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidorganosulfonic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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